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BDBM50172410 CHEMBL3808652

SMILES: Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3ccncc3)nc12

InChI Key: InChIKey=IBUZGBWHEWWGMN-QTQZEZTPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50172410   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172410
PNG
(CHEMBL3808652)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3ccncc3)nc12 |r|
Show InChI InChI=1S/C22H23N7O4/c23-19-16-20(27-11-26-19)29(21-18(32)17(31)15(10-30)33-21)22(28-16)25-9-12-1-3-13(4-2-12)14-5-7-24-8-6-14/h1-8,11,15,17-18,21,30-32H,9-10H2,(H,25,28)(H2,23,26,27)/t15-,17-,18-,21-/m1/s1
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PC cid
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Similars

PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair